6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide

C27H22ClFN4O4 — CID 171549100

IUPAC6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
SMILESCc1cc([C@@H](C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cc(F)c4nn(C)cc4c3)c(C)c(=O)c2c1
InChIInChI=1S/C27H22ClFN4O4/c1-12-7-17(14(3)36-20-5-6-21(28)31-23(20)27(30)35)26-18(8-12)24(34)13(2)25(37-26)15-9-16-11-33(4)32-22(16)19(29)10-15/h5-11,14H,1-4H3,(H2,30,35)/t14-/m1/s1
InChIKeyQAELLLTWJUQQFS-CQSZACIVSA-N
MW520.95 g/mol
LogP5.39
Rot. Bonds5

About 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide

6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide (PubChem CID 171549100) has the molecular formula C27H22ClFN4O4 and a molecular weight of 520.95 g/mol. Its IUPAC name is 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
PubChem CID171549100
Molecular FormulaC27H22ClFN4O4
Molecular Weight520.95 g/mol
Exact Mass520.13
IUPAC Name6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide
SMILESCc1cc([C@@H](C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cc(F)c4nn(C)cc4c3)c(C)c(=O)c2c1
InChIInChI=1S/C27H22ClFN4O4/c1-12-7-17(14(3)36-20-5-6-21(28)31-23(20)27(30)35)26-18(8-12)24(34)13(2)25(37-26)15-9-16-11-33(4)32-22(16)19(29)10-15/h5-11,14H,1-4H3,(H2,30,35)/t14-/m1/s1
InChIKeyQAELLLTWJUQQFS-CQSZACIVSA-N
XLogP5.39
TPSA113.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.95
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide (CID 171549100) is 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide is Cc1cc([C@@H](C)Oc2ccc(Cl)nc2C(N)=O)c2oc(-c3cc(F)c4nn(C)cc4c3)c(C)c(=O)c2c1.
What is the InChIKey of 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
The InChIKey is QAELLLTWJUQQFS-CQSZACIVSA-N. The full InChI is InChI=1S/C27H22ClFN4O4/c1-12-7-17(14(3)36-20-5-6-21(28)31-23(20)27(30)35)26-18(8-12)24(34)13(2)25(37-26)15-9-16-11-33(4)32-22(16)19(29)10-15/h5-11,14H,1-4H3,(H2,30,35)/t14-/m1/s1.
What are the key properties of 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide?
6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide has a molecular weight of 520.95 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1R)-1-[2-(7-fluoro-2-methylindazol-5-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 171549100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).